tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate

C17H26N2O2 — CID 84643830

IUPACtert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate
SMILESCc1ccc2c(c1C)NC(C)(C)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-11-8-9-13-14(12(11)2)18-17(6,7)10-19(13)15(20)21-16(3,4)5/h8-9,18H,10H2,1-7H3
InChIKeyBZBOBVSRMNLMBI-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.25
Rot. Bonds

About tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate

tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 84643830) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID84643830
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate
SMILESCc1ccc2c(c1C)NC(C)(C)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-11-8-9-13-14(12(11)2)18-17(6,7)10-19(13)15(20)21-16(3,4)5/h8-9,18H,10H2,1-7H3
InChIKeyBZBOBVSRMNLMBI-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
CID 84645694
tert-butyl 5-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84633187
tert-butyl 3,3,4-trimethyl-5-(morpholin-4-ylmethyl)-2H-indole-1-carboxylate
CID 90124324
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 4-(4-amino-2,3-dimethylphenyl)piperazine-1-carboxylate
CID 70581857
tert-butyl 5-(azetidin-1-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylate
CID 162728712
tert-butyl 4-(2,3,4-trimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158431338
tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate
CID 147010560
tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate
CID 50999112
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 3,3-dimethyl-4-methylidenepiperidine-1-carboxylate
CID 10632966

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate (CID 84643830) is tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate is Cc1ccc2c(c1C)NC(C)(C)CN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is BZBOBVSRMNLMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-8-9-13-14(12(11)2)18-17(6,7)10-19(13)15(20)21-16(3,4)5/h8-9,18H,10H2,1-7H3.
What are the key properties of tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate?
tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 84643830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).